5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine

C15H10BrFN4 — CID 79713719

IUPAC5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cn2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C15H10BrFN4/c16-12-13(9-4-2-1-3-5-9)20-15(21-14(12)18)11-7-6-10(17)8-19-11/h1-8H,(H2,18,20,21)
InChIKeyOYSIPKKQLGONEH-UHFFFAOYSA-N
MW345.18 g/mol
LogP3.69
Rot. Bonds2

About 5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine

5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine (PubChem CID 79713719) has the molecular formula C15H10BrFN4 and a molecular weight of 345.18 g/mol. Its IUPAC name is 5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine
PubChem CID79713719
Molecular FormulaC15H10BrFN4
Molecular Weight345.18 g/mol
Exact Mass344.01
IUPAC Name5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cn2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C15H10BrFN4/c16-12-13(9-4-2-1-3-5-9)20-15(21-14(12)18)11-7-6-10(17)8-19-11/h1-8H,(H2,18,20,21)
InChIKeyOYSIPKKQLGONEH-UHFFFAOYSA-N
XLogP3.69
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine (CID 79713719) is 5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine is Nc1nc(-c2ccc(F)cn2)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine?
The InChIKey is OYSIPKKQLGONEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN4/c16-12-13(9-4-2-1-3-5-9)20-15(21-14(12)18)11-7-6-10(17)8-19-11/h1-8H,(H2,18,20,21).
What are the key properties of 5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine?
5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine has a molecular weight of 345.18 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 79713719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).